2-cyclononadecylpropan-2-ol

C22H44O — CID 126587376

IUPAC2-cyclononadecylpropan-2-ol
SMILESCC(C)(O)C1CCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C22H44O/c1-22(2,23)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-21/h21,23H,3-20H2,1-2H3
InChIKeyKKWRBEOVGRMENE-UHFFFAOYSA-N
MW324.59 g/mol
LogP7.41
Rot. Bonds1

About 2-cyclononadecylpropan-2-ol

2-cyclononadecylpropan-2-ol (PubChem CID 126587376) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 2-cyclononadecylpropan-2-ol.

Molecular Properties

Compound Name2-cyclononadecylpropan-2-ol
PubChem CID126587376
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name2-cyclononadecylpropan-2-ol
SMILESCC(C)(O)C1CCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C22H44O/c1-22(2,23)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-21/h21,23H,3-20H2,1-2H3
InChIKeyKKWRBEOVGRMENE-UHFFFAOYSA-N
XLogP7.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3-dicyclohexylbutane-2,3-diol
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tert-butylcyclopentadecane
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2-cyclohexylbutan-2-ol
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2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
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(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
CID 90817555
1-cyclohexyl-1-(oxan-4-yl)ethanol
CID 114794901
2-cyclohexylpentan-2-ol
CID 75245103
3-amino-2-cyclopentyl-3-methylbutan-2-ol
CID 105434950

Frequently Asked Questions

What is the IUPAC name of 2-cyclononadecylpropan-2-ol?
The IUPAC name of 2-cyclononadecylpropan-2-ol (CID 126587376) is 2-cyclononadecylpropan-2-ol.
What is the SMILES notation for 2-cyclononadecylpropan-2-ol?
The canonical SMILES for 2-cyclononadecylpropan-2-ol is CC(C)(O)C1CCCCCCCCCCCCCCCCCC1.
What is the InChIKey of 2-cyclononadecylpropan-2-ol?
The InChIKey is KKWRBEOVGRMENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-22(2,23)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-21/h21,23H,3-20H2,1-2H3.
What are the key properties of 2-cyclononadecylpropan-2-ol?
2-cyclononadecylpropan-2-ol has a molecular weight of 324.59 g/mol, XLogP of 7.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononadecylpropan-2-ol is sourced from PubChem (CID 126587376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).